2,4-Bis(benzylthio)benzonitrile
TL;DR: 2,4-Bis(benzylthio)benzonitrile (CAS 447448-56-8) is a chemical compound with molecular formula C21H17NS2 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(benzylsulfanyl)benzonitrile
Also Known As: 2,4-Bis(benzylthio)benzonitrile, 2,4-bis(benzylsulfanyl)benzonitrile, 2,4-Bis-benzylsulfanyl-benzonitrile, ZERO/001803, 2,4-bis(phenylmethylthio)benzenecarbonitrile
| Molecular Formula | C21H17NS2 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.08023 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 447448-56-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC(=C(C=C2)C#N)SCC3=CC=CC=C3 |
| InChIKey | GMVQVQHIOKTPCX-UHFFFAOYSA-N |
Product Overview
2,4-Bis(benzylthio)benzonitrile (CAS 447448-56-8), with molecular formula C21H17NS2 and molecular weight 347.08 g/mol. IUPAC: 2,4-bis(benzylsulfanyl)benzonitrile.
Chemical Property Profile of 2,4-Bis(benzylthio)benzonitrile
Property Insights of 2,4-Bis(benzylthio)benzonitrile
The XLogP value of 5.7 indicates that 2,4-Bis(benzylthio)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis(benzylthio)benzonitrile. Following Lipinski's Rule of Five, 2,4-Bis(benzylthio)benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Bis(benzylthio)benzonitrile?
The CAS number of 2,4-Bis(benzylthio)benzonitrile is 447448-56-8.
What is the molecular formula of 2,4-Bis(benzylthio)benzonitrile?
The molecular formula of 2,4-Bis(benzylthio)benzonitrile is C21H17NS2.
What is the molecular weight of 2,4-Bis(benzylthio)benzonitrile?
The molecular weight of 2,4-Bis(benzylthio)benzonitrile is 347.08 g/mol.
Where can I buy 2,4-Bis(benzylthio)benzonitrile?
You can request a quote for 2,4-Bis(benzylthio)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(benzylthio)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(benzylthio)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.